1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid

C13H23NO3 — CID 43529300

IUPAC1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid
SMILESCC(C)NC(=O)CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C13H23NO3/c1-10(2)14-11(15)9-13(12(16)17)7-5-3-4-6-8-13/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeySRJLZIVUEWEFAE-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.33
Rot. Bonds4

About 1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid

1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid (PubChem CID 43529300) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid
PubChem CID43529300
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid
SMILESCC(C)NC(=O)CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C13H23NO3/c1-10(2)14-11(15)9-13(12(16)17)7-5-3-4-6-8-13/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeySRJLZIVUEWEFAE-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106344050
1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 43396421
1-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 79254012
1-[2-(4-methylsulfanylbutan-2-ylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 113477007
1-[2-(heptan-2-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43578366
1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61499207
1-[2-(2-hydroxypropylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 54868105
1-[2-(dicyclopropylmethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60941202
1-[2-(octan-4-ylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106019129
1-[2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60941748
1-[2-(hexan-3-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 62119087
CID 89009885
CID 89009885

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid (CID 43529300) is 1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid is CC(C)NC(=O)CC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid?
The InChIKey is SRJLZIVUEWEFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10(2)14-11(15)9-13(12(16)17)7-5-3-4-6-8-13/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid?
1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43529300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).